2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol

C16H21NO — CID 115250859

IUPAC2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
SMILESCCC(CO)CNCc1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-2-13(12-18)10-17-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17-18H,2,10-12H2,1H3
InChIKeyQIGPBTFJXIFEHJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.95
Rot. Bonds6

About 2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol

2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol (PubChem CID 115250859) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
PubChem CID115250859
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
SMILESCCC(CO)CNCc1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-2-13(12-18)10-17-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17-18H,2,10-12H2,1H3
InChIKeyQIGPBTFJXIFEHJ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol
CID 115250860
1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
CID 171155033
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine
CID 130392767
2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 81419243
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol
CID 115250791
1-(naphthalen-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol
CID 62368265
N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine
CID 130243752
3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine
CID 114472242

Frequently Asked Questions

What is the IUPAC name of 2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol?
The IUPAC name of 2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol (CID 115250859) is 2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol?
The canonical SMILES for 2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol is CCC(CO)CNCc1cccc2ccccc12.
What is the InChIKey of 2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol?
The InChIKey is QIGPBTFJXIFEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-13(12-18)10-17-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17-18H,2,10-12H2,1H3.
What are the key properties of 2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol?
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol is sourced from PubChem (CID 115250859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).